Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 5/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1389538 | 0.97 | CA4 (0.50) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL976875 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL15251308 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL9656600 | 0.94 | CA4 (0.55) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL6669346 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL4705339 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL11344222 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL8984838 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL865415 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL1133745 | 0.94 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1155095-B1 | ELECTROLUMINESCENT MATERIALS | SOUTH BANK UNIV ENTPR LTD (GB) | 2004-09-22 | — | — | EP | disclosed |
| US-6717354-B1 | ORGANIC METALLIC COMPLEX OF A TRANSITION METAL, LANTHANIDE OR ACTINIDE AND A POLYAMINE LIGAND | SOUTH BANK UNIVERSITY ENTERPRISES LTD. (GB) | 2004-04-06 | — | — | US | disclosed |
| CN-1339057-A | Electroluminescent material | SOUTH RANK UNIV ENTPR LTD (GB) | 2002-03-06 | — | — | CN | disclosed |
| EP-1155095-A2 | ELECTROLUMINESCENT MATERIALS | SOUTH BANK UNIVERSITY ENTERPRISES LTD. (GB) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000044851-A2 | ELECTROLUMINESCENT MATERIALS | SOUTH BANK UNIVERSITY ENTERPRISES LTD (GB) | 2000-08-03 | — | — | WO | disclosed |